Geometry & MOs

Info

ID:	247978
PubChem CID:	103077902
Reduced:	NC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	246.184447
ΔH_f, kcal/mol:	97.38
Dipole, Da:	3.49
IP(EA), eV:	-7.86(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(1-adamantyl)-1-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2=CC=CC=C2C3=CC=CC=C3)N

DOS

IR

Vibrations